SCHEMBL5219360

SCHEMBL5219360

CC(=O)NCC1COC(=O)N1c1cc(F)c(C2CC[S+]([O-])CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.38
MAOB P27338 3/20 0.38
PTGS1 P23219 2/20 0.38
SDHA P31040 2/20 0.38
LMNA P02545 1/20 0.38
CALML3 P27482 1/20 0.38
CYP2C19 P33261 1/20 0.35
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
RORC P51449 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5216698 0.80 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8359082 0.73 MAOA (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8359085 0.73 MAOA (0.42) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7985431 0.72 MAOA (0.40) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7805454 0.71 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7515727 0.71 MAOB (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6164776 0.70 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL1176221 0.70 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6164308 0.70 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6164310 0.70 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467992-B1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN CO LLC (US) 2007-08-08 EP disclosed